N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline

C14H21FN2O — CID 54946681

IUPACN-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(CCOC)C2CC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-16-10-11-3-6-14(13(15)9-11)17(7-8-18-2)12-4-5-12/h3,6,9,12,16H,4-5,7-8,10H2,1-2H3
InChIKeyRBKHJGDNJSSYQY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds7

About N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline

N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline (PubChem CID 54946681) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
PubChem CID54946681
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(CCOC)C2CC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-16-10-11-3-6-14(13(15)9-11)17(7-8-18-2)12-4-5-12/h3,6,9,12,16H,4-5,7-8,10H2,1-2H3
InChIKeyRBKHJGDNJSSYQY-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829
4-[(tert-butylamino)methyl]-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 81148121
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
CID 54995451
N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763
[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline?
The IUPAC name of N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline (CID 54946681) is N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline is CNCc1ccc(N(CCOC)C2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline?
The InChIKey is RBKHJGDNJSSYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-10-11-3-6-14(13(15)9-11)17(7-8-18-2)12-4-5-12/h3,6,9,12,16H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline?
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline has a molecular weight of 252.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline is sourced from PubChem (CID 54946681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).